Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.6943    0.9235   -0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    0.4473   -0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067   -0.6900   -0.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.7385    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -1.8966    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2008   -1.9384    0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0681   -0.9047    0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654    0.2449    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1982    0.3144   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    1.3544   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1151    1.8064   -0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2571    0.4496    0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.9459   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -2.7471    0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -2.8447    1.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413   -0.9941    0.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023    1.2049   -0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6234    2.0372    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787    2.0047   -1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965    1.0208   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers